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GW calculations including spin orbit interaction


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  • From: michele.penna@studenti.polito.it
  • To: forum@abinit.org
  • Subject: GW calculations including spin orbit interaction
  • Date: Tue, 5 Feb 2008 15:34:14 +0100

Dear all,
when I try to perform GW calculations with hgh or gth pseudopotentials, with
or without inclusion of spin orbit, I get the following termination of the
code:

chkinp: machine precision is 2.2204460492503131E-16

chkinp: Checking input parameters for consistency, jdtset= 1.

chkinp: Checking input parameters for consistency, jdtset= 2.

chkinp: Checking input parameters for consistency, jdtset= 3.

chkinp: Checking input parameters for consistency, jdtset= 4.

leave_new : decision taken to exit ...

I use abinit-5.4.4.
How can I perform GW calculations taking into account the spin orbit
interaction?

Thanks,
Michele


  • GW calculations including spin orbit interaction, michele . penna, 02/05/2008

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